3-((4-((4-((7-chloroquinolin-4-yl)amino)butyl)amino)pyrimidin-2-yl)amino)propan-1-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-((4-((4-((7-chloroquinolin-4-yl)amino)butyl)amino)pyrimidin-2-yl)amino)propan-1-ol
• 英文别名: 3-[[4-[4-[(7-Chloroquinolin-4-yl)amino]butylamino]pyrimidin-2-yl]amino]propan-1-ol；3-[[4-[4-[(7-chloroquinolin-4-yl)amino]butylamino]pyrimidin-2-yl]amino]propan-1-ol
• 化学式: C₂₀H₂₅ClN₆O
• 分子量: 400.911
• InChiKey: BQKJOCMAOFTMAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(4-氨基丁基)氨基-7-氯喹啉 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-((4-((4-((7-chloroquinolin-4-yl)amino)butyl)amino)pyrimidin-2-yl)amino)propan-1-ol
  参考文献：
  名称：

  4-Aminoquinoline-pyrimidine-aminoalkanols: synthesis, in vitro antimalarial activity, docking studies and ADME predictions

  摘要：

  4-氨基喹啉-嘧啶-氨基烷醇显示出良好的体外抗疟活性，对氯喹敏感和耐药株的疟原虫均有效，同时具有有利的抗药性指数和预测的ADME性质。

  DOI：

  10.1039/c5nj00094g

文献信息

• AMINOQUINOLINE DERIVATIVES AND USES THEREOF
  申请人：THE MCLEAN HOSPITAL CORPORATION

  公开号：US20150023930A1

  公开（公告）日：2015-01-22

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.

  本文描述了基于氨基喹啉和氨基蒽醌的混合物，包括含有这种基于氨基喹啉和氨基蒽醌的混合物的制药组合物和药物，以及使用这种化合物诊断和/或治疗感染、神经退行性疾病或障碍、炎症、与炎症相关的疾病和障碍以及可用多巴胺激动剂治疗的疾病或障碍（如不宁腿综合征）的方法。
• Aminoquinoline derivatives and uses thereof
  申请人：UNIVERSITY OF DELHI

  公开号：US11026943B2

  公开（公告）日：2021-06-08

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegenerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.

  本文描述了基于氨基喹啉和氨基吖啶的混合物、包括这种基于氨基喹啉和氨基吖啶的混合物的药物组合物和药物，以及使用这种化合物诊断和/或治疗感染、神经退行性疾病或紊乱、炎症、炎症相关疾病和紊乱和/或可使用多巴胺激动剂治疗的疾病或紊乱（如不安腿综合征）的方法。
• Aminoquinoline Derivatives and Uses Thereof
  申请人：The McLean Hospital Corporation

  公开号：US20220008418A1

  公开（公告）日：2022-01-13

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.
• US9567316B2
  申请人：——

  公开号：US9567316B2

  公开（公告）日：2017-02-14
• 4-Aminoquinoline-pyrimidine-aminoalkanols: synthesis, in vitro antimalarial activity, docking studies and ADME predictions
  作者：Mohit Tripathi、Shabana I. Khan、Anuj Thakur、Prija Ponnan、Diwan S. Rawat

  DOI：10.1039/c5nj00094g

  日期：——

  4-Aminoquinoline-pyrimidine-aminoalkanols displaying good in vitro antimalarial activities against both CQ-sensitive and -resistant strains of P. falciparum, together with favourable resistance-indices and the predicted ADME properties, are reported.

  4-氨基喹啉-嘧啶-氨基烷醇显示出良好的体外抗疟活性，对氯喹敏感和耐药株的疟原虫均有效，同时具有有利的抗药性指数和预测的ADME性质。